[(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
| Internal ID | e295678e-057f-4f63-80d4-a5e06b5bb83f |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | [(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol |
| SMILES (Canonical) | CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)CO |
| SMILES (Isomeric) | C/C=C\1/CN2[C@H]3C[C@H]1[C@H]([C@@H]2CC4=C3NC5=CC=CC=C45)CO |
| InChI | InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13-,15-,17+,18+/m1/s1 |
| InChI Key | VXTDUGOBAOLMED-PQKPIAESSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 2.10 |
| Sarpagan-17-ol |
![2D Structure of [(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/2428e830-864f-11ee-8406-1d859bc9fc37.jpg "2D Structure of [(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.72% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.16% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.75% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.91% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.75% | 94.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.14% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.29% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.22% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.43% | 93.99% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.59% | 95.51% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.22% | 95.83% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 81.31% | 85.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.11% | 98.59% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Rauvolfia serpentina |
| Strychnos nux-vomica |
| PubChem | 124524370 |
| LOTUS | LTS0193245 |
| wikiData | Q105298748 |